N'-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine

C14H22F3N3 — CID 59864164

IUPACN'-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)Cc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C14H22F3N3/c1-19(2)7-4-8-20(3)10-11-5-6-12(18)9-13(11)14(15,16)17/h5-6,9H,4,7-8,10,18H2,1-3H3
InChIKeyRUAIMSLBHAYFAK-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.67
Rot. Bonds6

About N'-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 59864164) has the molecular formula C14H22F3N3 and a molecular weight of 289.35 g/mol. Its IUPAC name is N'-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID59864164
Molecular FormulaC14H22F3N3
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC NameN'-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)Cc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C14H22F3N3/c1-19(2)7-4-8-20(3)10-11-5-6-12(18)9-13(11)14(15,16)17/h5-6,9H,4,7-8,10,18H2,1-3H3
InChIKeyRUAIMSLBHAYFAK-UHFFFAOYSA-N
XLogP2.67
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 59864164) is N'-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)Cc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of N'-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is RUAIMSLBHAYFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-19(2)7-4-8-20(3)10-11-5-6-12(18)9-13(11)14(15,16)17/h5-6,9H,4,7-8,10,18H2,1-3H3.
What are the key properties of N'-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 289.35 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 59864164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).